(2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide

C26H35N5O4 — CID 129455255

IUPAC(2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCOCC4)cc3)[C@H](C(=O)N(C)C)C2)cc1
InChIInChI=1S/C26H35N5O4/c1-28(2)26(33)24-18-30(22-8-10-23(34-3)11-9-22)12-13-31(24)19-25(32)27-20-4-6-21(7-5-20)29-14-16-35-17-15-29/h4-11,24H,12-19H2,1-3H3,(H,27,32)/t24-/m0/s1
InChIKeyHSAFUTVDNZBCHK-DEOSSOPVSA-N
MW481.60 g/mol
LogP1.75
Rot. Bonds7

About (2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide

(2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide (PubChem CID 129455255) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is (2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide
PubChem CID129455255
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name(2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCOCC4)cc3)[C@H](C(=O)N(C)C)C2)cc1
InChIInChI=1S/C26H35N5O4/c1-28(2)26(33)24-18-30(22-8-10-23(34-3)11-9-22)12-13-31(24)19-25(32)27-20-4-6-21(7-5-20)29-14-16-35-17-15-29/h4-11,24H,12-19H2,1-3H3,(H,27,32)/t24-/m0/s1
InChIKeyHSAFUTVDNZBCHK-DEOSSOPVSA-N
XLogP1.75
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide
CID 132780211
(2R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-4-(4-methoxyphenyl)-N,N-dimethylpiperazine-2-carboxamide
CID 125019309
2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 32723022
2-[(R)-[2-(4-methoxyanilino)-2-oxoethyl]sulfinyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 51686054
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
1-[2-(3-acetamido-4-methylanilino)-2-oxoethyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110152768
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 75418566
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
(2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide
CID 125002159

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide?
The IUPAC name of (2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide (CID 129455255) is (2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide is COc1ccc(N2CCN(CC(=O)Nc3ccc(N4CCOCC4)cc3)[C@H](C(=O)N(C)C)C2)cc1.
What is the InChIKey of (2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide?
The InChIKey is HSAFUTVDNZBCHK-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-28(2)26(33)24-18-30(22-8-10-23(34-3)11-9-22)12-13-31(24)19-25(32)27-20-4-6-21(7-5-20)29-14-16-35-17-15-29/h4-11,24H,12-19H2,1-3H3,(H,27,32)/t24-/m0/s1.
What are the key properties of (2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide?
(2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide is sourced from PubChem (CID 129455255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).